Multipole electrostatic potential derived atomic charges in NDDO-methods with spd-basis sets.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 381, doi. 10.1007/s00894-006-0137-8
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- Article
Works matching IS 16102940 AND DT 2007 AND VI 13 AND IP 2
Results: 12
1
2
Pt-bridges in various single-strand and double-helix DNA sequences. DFT and MP2 study of the cisplatin coordination with guanine, adenine, and cytosine.
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- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 367, doi. 10.1007/s00894-006-0151-x
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- Article
3
Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions.
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- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 335, doi. 10.1007/s00894-006-0148-5
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- Article
4
A hydrophobic similarity analysis of solvation effects on nucleic acid bases.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 357
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- Publication type:
- Article
5
An overview of halogen bonding.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 305, doi. 10.1007/s00894-006-0154-7
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- Publication type:
- Article
6
Molecular surface electrostatic potentials and anesthetic activity.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 313, doi. 10.1007/s00894-006-0145-8
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- Article
7
Halogen bonding: the σ-hole.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 291, doi. 10.1007/s00894-006-0130-2
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- Article
8
Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexes.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 347, doi. 10.1007/s00894-006-0149-4
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- Publication type:
- Article
9
Insights into amprenavir resistance in E35D HIV-1 protease mutation from molecular dynamics and binding free-energy calculations.
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- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 297, doi. 10.1007/s00894-006-0121-3
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- Article
10
Computer simulation of polypeptides in a confinement.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 327, doi. 10.1007/s00894-006-0147-6
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- Article
11
Fundamental measure theory of hydrated hydrocarbons.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 319, doi. 10.1007/s00894-006-0146-7
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- Publication type:
- Article
12
International workshop on “Modeling interaction in biomolecules II,” held in Prague from September 5–9, 2005.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 2, p. 289, doi. 10.1007/s00894-006-0120-4
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- Publication type:
- Article